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COVID-19特輯

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冠狀病毒
冠狀病毒,2020. 由David S. Goodsell @ RCSB PDB原圖修改

最近爆發的新型冠狀病毒傳染病(Novel Coronavirus disease 2019: COVID-19)對全世界的人們都構成了嚴重威脅。 為了儘早了解新病毒(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)以開發出有效的抗病毒藥物,已經有很多科研人員開始了相關蛋白結構的研究,並且將所獲得結構數據存儲與PDB。 PDBj為用戶提供了COVID-19相關數據一覽的門戶頁面,並將於每週三更新當日新發佈的相關數據。

有關該病毒蛋白質的解說,請參見下面的“當月的分子”頁面。

“所有結構”標籤的頁面則逐一羅列了所有的數據,包括由同一研究組提交的系列數據群。 “代表性結構”標籤的頁面精選具有相同胺基酸序列的結構數據中的高分辨率數據,不重複選擇具有同一胺基酸序列的數據,即使該數據可能包含不同的配體。 “最新條目”標籤內包含本週新更新數據。


Created: 2020-09-03 (last edited: more than 1 year ago)2022-09-02
8FWO
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BU of 8fwo by Molmil
Crystal structure of SARS-CoV-2 papain-like protease
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Bezerra, E.H.S, Soprano, A.S, Tonoli, C.C.C, Prado, P.F.V, da Silva, J.C, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E.
Deposit date:2023-01-23
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease
To Be Published
8HP9
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BU of 8hp9 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPQ
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BU of 8hpq by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4 S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPV
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BU of 8hpv by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Prototype S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2024-01-31
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HQF
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BU of 8hqf by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
Descriptor: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Non-structural protein 7
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
To Be Published
8I4H
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BU of 8i4h by Molmil
Omicron spike variant BA.1 with Bn03
Descriptor: Bn03, Spike glycoprotein
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8KA8
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BU of 8ka8 by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F.
Deposit date:2023-08-02
Release date:2024-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
8KC2
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BU of 8kc2 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.3 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Niu, S, Zhao, Z.N, Chai, Y, Gao, G.F.
Deposit date:2023-08-05
Release date:2024-01-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis and analysis of hamster ACE2 binding to different SARS-CoV-2 spike RBDs.
J.Virol., 98, 2024
8PH4
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BU of 8ph4 by Molmil
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ...
Authors:Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H.
Deposit date:2023-06-18
Release date:2024-01-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8QQ0
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BU of 8qq0 by Molmil
SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8C9L
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BU of 8c9l by Molmil
Crystal structure of SARS-CoV-2 Mpro-S144A mutant, free enzyme
Descriptor: 3C-like proteinase nsp5
Authors:El Kilani, H, Ibrahim, M, Hilgenfeld, R.
Deposit date:2023-01-23
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of SARS-CoV-2 Mpro-S144A mutant, free enzyme
To Be Published
8C9O
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BU of 8c9o by Molmil
Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K
Descriptor: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Ibrahim, M, El Kilani, H, Hilgenfeld, R.
Deposit date:2023-01-23
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of SARS-CoV-2 Mpro_S144A mutant in complex with 13b-K
To Be Published
8CBD
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BU of 8cbd by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBE
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BU of 8cbe by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs
Descriptor: BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBF
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BU of 8cbf by Molmil
SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs
Descriptor: Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8DT9
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BU of 8dt9 by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-07-25
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E4W
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BU of 8e4w by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-19
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8E5C
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BU of 8e5c by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-20
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
8I9B
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BU of 8i9b by Molmil
S-ECD (Omicron BA.2.75) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published
8I9C
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BU of 8i9c by Molmil
S-ECD (Omicron BF.7) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published
8I9D
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BU of 8i9d by Molmil
S-ECD (Omicron XBB.1) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published
8I9E
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BU of 8i9e by Molmil
S-RBD(Omicron BA.3) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published
8I9F
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BU of 8i9f by Molmil
S-RBD (Omicron BA.2.75) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published
8I9G
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BU of 8i9g by Molmil
S-RBD (Omicron BF.7) in complex with PD of ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
Deposit date:2023-02-06
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for the enhanced infectivity and immune evasion of Omicron subvariants
To Be Published

222415

數據於2024-07-10公開中

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